BDBM41832 Acetic acid N'-[3-oxo-3H-benzo[b]thiophen-(2Z)-ylidene]-N-o-tolyl-hydrazide::MLS000552762::N-(2-methylphenyl)-N-[(3-oxidanylidene-1-benzothiophen-2-ylidene)amino]ethanamide::N-(2-methylphenyl)-N-[(3-oxo-1-benzothiophen-2-ylidene)amino]acetamide::N-[(3-ketobenzothiophen-2-ylidene)amino]-N-(o-tolyl)acetamide::N-[(Z)-(3-ketobenzothiophen-2-ylidene)amino]-N-(o-tolyl)acetamide::SMR000146277::cid_759936

SMILES: CC(=O)N(N=C1Sc2ccccc2C1=O)c1ccccc1C

InChI Key: InChIKey=OBPOWEVMSNKZCM-UHFFFAOYSA-N

Data: 11 IC50  3 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 41832   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM41832 (Acetic acid N'-[3-oxo-3H-benzo[b]thiophen-(2Z)...) Show SMILES CC(=O)N(N=C1Sc2ccccc2C1=O)c1ccccc1C |w:4.3| Show InChI InChI=1S/C17H14N2O2S/c1-11-7-3-5-9-14(11)19(12(2)20)18-17-16(21)13-8-4-6-10-15(13)22-17/h3-10H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description List of compounds to be tested: Compounds that met the active criterion of Z-score is				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2Z036KJ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM41832 (Acetic acid N'-[3-oxo-3H-benzo[b]thiophen-(2Z)...) Show SMILES CC(=O)N(N=C1Sc2ccccc2C1=O)c1ccccc1C |w:4.3| Show InChI InChI=1S/C17H14N2O2S/c1-11-7-3-5-9-14(11)19(12(2)20)18-17-16(21)13-8-4-6-10-15(13)22-17/h3-10H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.73E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description List of compounds to be tested: Compounds that met the active criterion of Z-score is				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2T72FVT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK1 (Homo sapiens (Human))	BDBM41832 (Acetic acid N'-[3-oxo-3H-benzo[b]thiophen-(2Z)...) Show SMILES CC(=O)N(N=C1Sc2ccccc2C1=O)c1ccccc1C |w:4.3| Show InChI InChI=1S/C17H14N2O2S/c1-11-7-3-5-9-14(11)19(12(2)20)18-17-16(21)13-8-4-6-10-15(13)22-17/h3-10H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
University of Pittsburgh Molecular Library Screening Center Curated by PubChem BioAssay					Assay Description List of compounds to be tested: Compounds that met the active criterion of Z-score is				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2N58JS6
					More data for this Ligand-Target Pair
karyopherin alpha 2 (RAG cohort 1, importin alpha 1), isoform CRA_b (Homo sapiens (Human))	BDBM41832 (Acetic acid N'-[3-oxo-3H-benzo[b]thiophen-(2Z)...) Show SMILES CC(=O)N(N=C1Sc2ccccc2C1=O)c1ccccc1C |w:4.3| Show InChI InChI=1S/C17H14N2O2S/c1-11-7-3-5-9-14(11)19(12(2)20)18-17-16(21)13-8-4-6-10-15(13)22-17/h3-10H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.99E+4	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: Counterscreen, FRET assay, HTS, YIC probe, Dose response, Assay Overview: This is a fluorescence resonance energy transfer (FRET)-based b...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q280513R
					More data for this Ligand-Target Pair
SUMO/sentrin specific peptidase family member 8 (Homo sapiens (Human))	BDBM41832 (Acetic acid N'-[3-oxo-3H-benzo[b]thiophen-(2Z)...) Show SMILES CC(=O)N(N=C1Sc2ccccc2C1=O)c1ccccc1C |w:4.3| Show InChI InChI=1S/C17H14N2O2S/c1-11-7-3-5-9-14(11)19(12(2)20)18-17-16(21)13-8-4-6-10-15(13)22-17/h3-10H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2MS3R7H
					More data for this Ligand-Target Pair
SUMO-1-specific protease (Homo sapiens (Human))	BDBM41832 (Acetic acid N'-[3-oxo-3H-benzo[b]thiophen-(2Z)...) Show SMILES CC(=O)N(N=C1Sc2ccccc2C1=O)c1ccccc1C |w:4.3| Show InChI InChI=1S/C17H14N2O2S/c1-11-7-3-5-9-14(11)19(12(2)20)18-17-16(21)13-8-4-6-10-15(13)22-17/h3-10H,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q27H1H10
					More data for this Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2 (Homo sapiens (Human))	BDBM41832 (Acetic acid N'-[3-oxo-3H-benzo[b]thiophen-(2Z)...) Show SMILES CC(=O)N(N=C1Sc2ccccc2C1=O)c1ccccc1C |w:4.3| Show InChI InChI=1S/C17H14N2O2S/c1-11-7-3-5-9-14(11)19(12(2)20)18-17-16(21)13-8-4-6-10-15(13)22-17/h3-10H,1-2H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	7.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2014) BindingDB Entry DOI: 10.7270/Q2WS8RXV
					More data for this Ligand-Target Pair
Caspase-3 (Homo sapiens (Human))	BDBM41832 (Acetic acid N'-[3-oxo-3H-benzo[b]thiophen-(2Z)...) Show SMILES CC(=O)N(N=C1Sc2ccccc2C1=O)c1ccccc1C |w:4.3| Show InChI InChI=1S/C17H14N2O2S/c1-11-7-3-5-9-14(11)19(12(2)20)18-17-16(21)13-8-4-6-10-15(13)22-17/h3-10H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2RJ4GZT
					More data for this Ligand-Target Pair
NLRP3 protein (Homo sapiens (Human))	BDBM41832 (Acetic acid N'-[3-oxo-3H-benzo[b]thiophen-(2Z)...) Show SMILES CC(=O)N(N=C1Sc2ccccc2C1=O)c1ccccc1C |w:4.3| Show InChI InChI=1S/C17H14N2O2S/c1-11-7-3-5-9-14(11)19(12(2)20)18-17-16(21)13-8-4-6-10-15(13)22-17/h3-10H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2RN369N
					More data for this Ligand-Target Pair
Apoptotic peptidase activating factor 1 (Homo sapiens (Human))	BDBM41832 (Acetic acid N'-[3-oxo-3H-benzo[b]thiophen-(2Z)...) Show SMILES CC(=O)N(N=C1Sc2ccccc2C1=O)c1ccccc1C |w:4.3| Show InChI InChI=1S/C17H14N2O2S/c1-11-7-3-5-9-14(11)19(12(2)20)18-17-16(21)13-8-4-6-10-15(13)22-17/h3-10H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	5.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2JS9NZB
					More data for this Ligand-Target Pair
Apoptotic peptidase activating factor 1 (Homo sapiens (Human))	BDBM41832 (Acetic acid N'-[3-oxo-3H-benzo[b]thiophen-(2Z)...) Show SMILES CC(=O)N(N=C1Sc2ccccc2C1=O)c1ccccc1C |w:4.3| Show InChI InChI=1S/C17H14N2O2S/c1-11-7-3-5-9-14(11)19(12(2)20)18-17-16(21)13-8-4-6-10-15(13)22-17/h3-10H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2F18X8S
					More data for this Ligand-Target Pair
Caspase-9 (Homo sapiens (Human))	BDBM41832 (Acetic acid N'-[3-oxo-3H-benzo[b]thiophen-(2Z)...) Show SMILES CC(=O)N(N=C1Sc2ccccc2C1=O)c1ccccc1C |w:4.3| Show InChI InChI=1S/C17H14N2O2S/c1-11-7-3-5-9-14(11)19(12(2)20)18-17-16(21)13-8-4-6-10-15(13)22-17/h3-10H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBIMR, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q25M647F
					More data for this Ligand-Target Pair
protein artemis isoform a (Homo sapiens (Human))	BDBM41832 (Acetic acid N'-[3-oxo-3H-benzo[b]thiophen-(2Z)...) Show SMILES CC(=O)N(N=C1Sc2ccccc2C1=O)c1ccccc1C |w:4.3| Show InChI InChI=1S/C17H14N2O2S/c1-11-7-3-5-9-14(11)19(12(2)20)18-17-16(21)13-8-4-6-10-15(13)22-17/h3-10H,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...				PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2MC8XP5
					More data for this Ligand-Target Pair
NLRP3 protein (Homo sapiens (Human))	BDBM41832 (Acetic acid N'-[3-oxo-3H-benzo[b]thiophen-(2Z)...) Show SMILES CC(=O)N(N=C1Sc2ccccc2C1=O)c1ccccc1C |w:4.3| Show InChI InChI=1S/C17H14N2O2S/c1-11-7-3-5-9-14(11)19(12(2)20)18-17-16(21)13-8-4-6-10-15(13)22-17/h3-10H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	8.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2WD3Z10
					More data for this Ligand-Target Pair